butyl 4-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C31H36N2O4S/c1-5-6-20-37-30(36)23-12-14-25(15-13-23)33-29(35)28(22-10-8-7-9-11-22)38-26-18-16-24(17-19-26)32-27(34)21-31(2,3)4/h7-19,28H,5-6,20-21H2,1-4H3,(H,32,34)(H,33,35)